fcf_vesta
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fcf_vesta [2017/03/02 00:49] – Changed order of output to be consistent with SHELX LIST 3 format. Does not change functionality in VESTA, but may affect other programs. btrump1 | fcf_vesta [2022/11/03 15:08] (current) – external edit 127.0.0.1 | ||
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+ | ====== FCF_Vesta ====== | ||
+ | Description: | ||
+ | |||
+ | Comment: This has not been extensively tested. Should an error be found, please correct it here... | ||
+ | |||
+ | Contributed by: Martin Fisch | ||
+ | |||
+ | <code topas> | ||
+ | macro FCF_Vesta(file) | ||
+ | { | ||
+ | no_f11 '' | ||
+ | out file | ||
+ | Out_String(" | ||
+ | Out_String(" | ||
+ | Out(Get(sp_xyzs_txt), | ||
+ | Out(Get(a), " | ||
+ | Out(Get(b), " | ||
+ | Out(Get(c), " | ||
+ | Out(Get(al), | ||
+ | Out(Get(be), | ||
+ | Out(Get(ga), | ||
+ | Out_String(" | ||
+ | Out_String(" | ||
+ | Out_String(" | ||
+ | Out_String(" | ||
+ | Out_String(" | ||
+ | Out_String(" | ||
+ | Out_String(" | ||
+ | Out_String(" | ||
+ | phase_out file append | ||
+ | load out_record out_fmt out_eqn | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | } | ||
+ | } | ||
+ | </ | ||
+ | |||